5-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide

C12H18N2O3S — CID 115770902

IUPAC5-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC(C)C(C)CO)s1
InChIInChI=1S/C12H18N2O3S/c1-7(6-15)8(2)13-12(17)10-4-5-11(18-10)14-9(3)16/h4-5,7-8,15H,6H2,1-3H3,(H,13,17)(H,14,16)
InChIKeyUBTDNORDWADJHS-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.45
Rot. Bonds5

About 5-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide

5-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide (PubChem CID 115770902) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 5-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
PubChem CID115770902
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name5-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC(C)C(C)CO)s1
InChIInChI=1S/C12H18N2O3S/c1-7(6-15)8(2)13-12(17)10-4-5-11(18-10)14-9(3)16/h4-5,7-8,15H,6H2,1-3H3,(H,13,17)(H,14,16)
InChIKeyUBTDNORDWADJHS-UHFFFAOYSA-N
XLogP1.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide (CID 115770902) is 5-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)NC(C)C(C)CO)s1.
What is the InChIKey of 5-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide?
The InChIKey is UBTDNORDWADJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-7(6-15)8(2)13-12(17)10-4-5-11(18-10)14-9(3)16/h4-5,7-8,15H,6H2,1-3H3,(H,13,17)(H,14,16).
What are the key properties of 5-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide?
5-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide has a molecular weight of 270.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 115770902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).